Articles

type: Journal
Title DOI Date
A Comparison of Catalytic Effect of Nano-Mn3O4 derived from MnC2O4.2H2O and Mn(acac)3 on Thermal Decomposition of Ammonium Perchlorate # 1396 - 12
Energy decomposition analysis of the intermolecular interaction energy between different gas molecules (H 2, O 2, H 2 O, N 2, CO 2, H 2 S, and CO) and selected Li+-doped graphitic molecules: DF-SAPT (DFT) calculations # 1396 - 12
The effect of the hydrogen fluoride chain on the aromaticity of C6H6 in the C6H6···(HF)1-4 complexes # 1396 - 11
Immobilization of gold nanoparticles on folate-conjugated dendritic mesoporous silica-coated reduced graphene oxide nanosheets a new nanoplatform for curcumin pH-controlled and targeted delivery 10.1039/c7sm02248d 1396 - 11
Investigation of simultaneous formation of nano-sized CuO and ZnO on the thermal decomposition of ammonium perchlorate for composite solid propellants # 1396 - 11
Stabilization of DOPA Zwitterions on Laser-Generated Gold Nanoparticles ONIOM Computational Study of the Charge-Dependent Structural and Electronic Changes of DOPA Adsorbed on the Gold Nanosurface 10.1021/acs.jpcc.8b02366 1396 - 11
Theoretical studies on the thermodynamics and kinetics of one-pot synthesis of aromatic PCP and PNP pincer ligands # 1396 - 11
Alkali halides based on nanoalumina as positive and negative ion source for ion mobility and mass spectrometry # 1396 - 10
Ionization of the Conformers of cis Nanotubular Cyclic Peptides in the Gas Phase: Effect of Size and Conformation on Ionization # 1396 - 10
Synthesis characterization and spectroscopic studies of nickel (II) complexes with some tridentate ONN donor Schiff bases and their electrocatalytic application for oxidation of methanol # 1396 - 10
Theoretical study on the adsorption and relative stability of conformers of l-ascorbic acid on - alumina (100) surface # 1396 - 08
Modeling of the n-alkane homologous series in the range of C6 to C20 using linear Yukawa isotherm regularity (LYIR) # 1396 - 07
Synthesis and spectroscopic characterization study of new palladium complexes containing bioactive O,O-chelated ligands evaluation of the DNA/protein BSA interaction, in vitro antitumoural activity and molecular docking. # 1396 - 07
Stabilized gold nanoparticles by laser ablation in ferric chloride solutions # 1396 - 07
Constants of explosive limits # 1396 - 05
Quantum mechanical/molecular mechanical and docking study of the novel analogues based on hybridization of common pharmacophores as potential anti-breast cancer agents # 1396 - 03
van der Waals DFT ONIOM study of the adsorption of DNA bases on the Cu(111) nanosurface # 1396 - 03
Correlation of isothermal compressibility coefficient and reduced bulk modulus of dense fluids using perturbed linear Yukawa isotherm regularity # 1396 - 03
Description of adenine and cytosine on Au(111) nano surface using different DFT functionals (PW91PW91 wB97XD M06-2X M06-L and CAM-B3LYP) in the framework of ONIOM scheme Non0periodic calculations # 1396 - 02
A single chemosensor with combined ionophore/fluorophore moieties acting as a fluorescent Off-On Zn2 sensor and a colorimetric sensor for Cu2 Experimental logic gate behavior and TD-DFT calculations # 1396 - 02